Comparative Molecular Field Analysis (CoMFA) of Anionic Azo Dye-Fiber Affinities I:  Gas-Phase Molecular Orbital Descriptors

Simona Funar-Timofei; Gerrit Schüürmann

doi:10.1021/ci010086v

Comparative Molecular Field Analysis (CoMFA) of Anionic Azo Dye-Fiber Affinities I: Gas-Phase Molecular Orbital Descriptors

Journal of Chemical Information and Computer Sciences ◽

10.1021/ci010086v ◽

2002 ◽

Vol 42 (4) ◽

pp. 788-795 ◽

Cited By ~ 17

Author(s):

Simona Funar-Timofei ◽

Gerrit Schüürmann

Keyword(s):

Gas Phase ◽

Molecular Orbital ◽

Azo Dye ◽

Field Analysis ◽

Molecular Field ◽

Comparative Molecular Field Analysis ◽

Molecular Field Analysis

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ChemInform Abstract: Comparative Molecular Field Analysis (CoMFA) of Anionic Azo Dye-Fiber Affinities I: Gas-Phase Molecular Orbital Descriptors.

ChemInform ◽

10.1002/chin.200239223 ◽

2010 ◽

Vol 33 (39) ◽

pp. no-no

Author(s):

Simona Funar-Timofei ◽

Gerrit Schueuermann

Keyword(s):

Gas Phase ◽

Molecular Orbital ◽

Azo Dye ◽

Field Analysis ◽

Molecular Field ◽

Comparative Molecular Field Analysis ◽

Molecular Field Analysis

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Multilinear Regression and Comparative Molecular Field Analysis (CoMFA) of Azo Dye−Fiber Affinities. 2. Inclusion of Solution-Phase Molecular Orbital Descriptors

Journal of Chemical Information and Computer Sciences ◽

10.1021/ci034064f ◽

2003 ◽

Vol 43 (5) ◽

pp. 1502-1512 ◽

Cited By ~ 18

Author(s):

Gerrit Schüürmann ◽

Simona Funar-Timofei

Keyword(s):

Molecular Orbital ◽

Azo Dye ◽

Solution Phase ◽

Field Analysis ◽

Molecular Field ◽

Comparative Molecular Field Analysis ◽

Multilinear Regression ◽

Molecular Field Analysis

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Multilinear Regression and Comparative Molecular Field Analysis (CoMFA) of Azo Dye—Fiber Affinities. Part 2. Inclusion of Solution-Phase Molecular Orbital Descriptors.

ChemInform ◽

10.1002/chin.200350238 ◽

2003 ◽

Vol 34 (50) ◽

Author(s):

Gerrit Schueuermann ◽

Simona Funar-Timofei

Keyword(s):

Molecular Orbital ◽

Azo Dye ◽

Solution Phase ◽

Field Analysis ◽

Molecular Field ◽

Comparative Molecular Field Analysis ◽

Multilinear Regression ◽

Molecular Field Analysis

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Comparative molecular field analysis (CoMFA), semiempirical (AM1) molecular orbital and multiconformational minimal steric difference (MTD) calculations of anthraquinone dye-fibre affinities

Journal of Molecular Structure THEOCHEM ◽

10.1016/0166-1280(95)04163-z ◽

1995 ◽

Vol 340 (1-3) ◽

pp. 73-81 ◽

Cited By ~ 21

Author(s):

Walter M.F. Fabian ◽

Simona Timofei ◽

Ludovic Kurunczi

Keyword(s):

Molecular Orbital ◽

Field Analysis ◽

Molecular Field ◽

Comparative Molecular Field Analysis ◽

Anthraquinone Dye ◽

Molecular Field Analysis

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Comparative molecular field analysis of CCK-A antagonists using field-fit as an alignment technique. A convenient guide to design new CCK-A ligands

Journal of Computer-Aided Molecular Design ◽

10.1007/bf00126214 ◽

1992 ◽

Vol 6 (6) ◽

pp. 553-568 ◽

Cited By ~ 11

Author(s):

Sylvain Rault ◽

Ronan Bureau ◽

Juan Carlos Pilo ◽

Max Robba

Keyword(s):

Field Analysis ◽

Molecular Field ◽

Comparative Molecular Field Analysis ◽

Molecular Field Analysis ◽

Alignment Technique

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Comparative Molecular Field Analysis of Compounds with CYP2A5 Binding Affinity

Quantitative Structure-Activity Relationships ◽

10.1002/qsar.19950140603 ◽

1995 ◽

Vol 14 (6) ◽

pp. 507-511 ◽

Cited By ~ 11

Author(s):

Antti Poso ◽

Risto Juvonen ◽

Jukka Gynther

Keyword(s):

Binding Affinity ◽

Field Analysis ◽

Molecular Field ◽

Comparative Molecular Field Analysis ◽

Molecular Field Analysis

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3D-QSAR studies on 4-hydroxyphenylpyruvate dioxygenase inhibitors by comparative molecular field analysis (CoMFA)

Bioorganic & Medicinal Chemistry Letters ◽

10.1016/s0960-894x(02)00432-8 ◽

2002 ◽

Vol 12 (17) ◽

pp. 2271-2275 ◽

Cited By ~ 18

Author(s):

Meilan Huang ◽

Ding-Yah Yang ◽

Zhicai Shang ◽

Jianwei Zou ◽

Qingsen Yu

Keyword(s):

3D Qsar ◽

Field Analysis ◽

Molecular Field ◽

Comparative Molecular Field Analysis ◽

Qsar Studies ◽

Molecular Field Analysis

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Application of comparative molecular field analysis to dopamine d2 partial agonists

Bioorganic & Medicinal Chemistry ◽

10.1016/s0968-0896(99)00201-1 ◽

1999 ◽

Vol 7 (11) ◽

pp. 2453-2456 ◽

Cited By ~ 3

Author(s):

Georgia B McGaughey ◽

Richard E Mewshaw

Keyword(s):

Field Analysis ◽

Molecular Field ◽

Comparative Molecular Field Analysis ◽

Partial Agonists ◽

Molecular Field Analysis ◽

Dopamine D2

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Melatonin Receptor Ligands: Synthesis of New Melatonin Derivatives and Comprehensive Comparative Molecular Field Analysis (CoMFA) Study

Journal of Medicinal Chemistry ◽

10.1021/jm9810093 ◽

1998 ◽

Vol 41 (20) ◽

pp. 3831-3844 ◽

Cited By ~ 51

Author(s):

Marco Mor ◽

Silvia Rivara ◽

Claudia Silva ◽

Fabrizio Bordi ◽

Pier Vincenzo Plazzi ◽

...

Keyword(s):

Field Analysis ◽

Molecular Field ◽

Comparative Molecular Field Analysis ◽

Melatonin Receptor ◽

Receptor Ligands ◽

Molecular Field Analysis ◽

Comfa Study

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Different electrostatic descriptors in comparative molecular field analysis: A comparison of molecular electrostatic and coulomb potentials

Journal of Computational Chemistry ◽

10.1002/(sici)1096-987x(199608)17:11<1296::aid-jcc2>3.0.co;2-h ◽

1996 ◽

Vol 17 (11) ◽

pp. 1296-1308 ◽

Cited By ~ 21

Author(s):

Romano T. Kroemer ◽

Peter Hecht ◽

Klaus R. Liedl

Keyword(s):

Field Analysis ◽

Molecular Field ◽

Comparative Molecular Field Analysis ◽

Molecular Field Analysis ◽

Coulomb Potentials

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